SCHEMBL7129502

SCHEMBL7129502

COC1(OCc2ccccc2)C=CC=CC1C(=NN)c1ccccc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7132195 0.82 ALDH1A1 (0.38) NPC1RAB9A
SCHEMBL23536852 0.80 ALDH1A1 (0.37) NPC1RAB9A
SCHEMBL8545819 0.69 SLC1A3 (0.35)
SCHEMBL28478305 0.68 CES2 (0.42) NPC1RAB9A
SCHEMBL10959754 0.67 NPC1 (0.40) NPC1
SCHEMBL28380002 0.65 CES2 (0.39) NPC1RAB9A
SCHEMBL5150393 0.65 KMT2A (0.40) NPC1RAB9A
SCHEMBL5284629 0.64 ALDH1A1 (0.39)
SCHEMBL14813391 0.64 NPC1 (0.38) NPC1
SCHEMBL2331142 0.63 ALDH1A1 (0.41)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670512-B2 Molecular templates for metal complexation STRYKER JEFFREY MARK (CA) 2003-12-30 US disclosed
US-20020183540-A1 Substituted tetraarylethylene compounds THE GOVERNORS OF THE UNIVERSITY OF ALBERTA 2002-12-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020183540-A1 Substituted tetraarylethylene compounds ABL1, ETV6, ALK NPC1 517/4885RAB9A 1308/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.